SCHEMBL114494

SCHEMBL114494

O=S(=O)(O)c1ccc(Nc2nc(Cl)nc(Cl)n2)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.52
APEX1 P27695 3/20 0.52
USP2 O75604 2/20 0.52
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
HPGDS O60760 1/20 0.47
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA9 Q16790 6/20 0.47
CA14 Q9ULX7 3/20 0.47
TIMP3 P35625 1/20 0.43
FUT8 Q9BYC5 1/20 0.42
TSHR P16473 1/20 0.41
P2RY12 Q9H244 1/20 0.41
P2RX7 Q99572 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30268659 1.00 CHAT (0.52) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL15894776 0.91 CHAT (0.52) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL4104068 0.88 CA12 (0.47) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL11893232 0.86 CHAT (0.48) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL9462489 0.85 CHAT (0.44) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL9326023 0.84 CHAT (0.59) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL8032296 0.84 HPGDS (0.46) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL10626059 0.84 CA12 (0.46) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL9010675 0.84 GAA (0.48) CHATAPEX1USP2ENPP3ENPP1
SCHEMBL9360776 0.83 CHAT (0.59) CHATAPEX1USP2ENPP3ENPP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8679195-B2 Tanning process and tanning composition CLARIANT FINANCE (BVI) LIMITED (VG) 2014-03-25 US disclosed
US-20120058357-A1 Tanning Process and Tanning Composition CLARIANT FINANCE (BVI) LIMITED (VG) 2012-03-08 US disclosed
EP-0576123-B1 Watersoluble triphenodioxazine dye AVECIA LTD (GB) 2000-03-01 EP disclosed
US-5498712-A Triphenodioxazine dyes ZENECA LIMITED (GB) 1996-03-12 US disclosed
EP-0576123-A1 Watersoluble triphenodioxazine dye ZENECA LIMITED (GB) 1993-12-29 EP disclosed
US-5189162-A Colorfast bright dyes for cellulose materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
EP-0437920-A1 Reactive dyes ZENECA LIMITED (GB) 1991-07-24 EP disclosed